(4E)-2-methyl-4-(thiophen-3-ylmethylidene)-2,3-dihydro-1H-benzo[b][1,6]naphthyridin-2-ium-10-carboxylate

Systemtic Name: (4E)-2-methyl-4-(thiophen-3-ylmethylidene)-2,3-dihydro-1H-benzo[b][1,6]naphthyridin-2-ium-10-carboxylate Openeye Name: (4E)-2-methyl-4-(3-thienylmethylene)-2,3-dihydro-1H-benzo[b][1,6]naphthyridin-2-ium-10-carboxylate CAS Name: (4E)-2-methyl-4-(3-thiophenylmethylidene)-2,3-dihydro-1H-benzo[b][1,6]naphthyridin-2-ium-10-carboxylate IUPAC Name: (4E)-2-methyl-4-(thiophen-3-ylmethylidene)-2,3-dihydro-1H-benzo[b][1,6]naphthyridin-2-ium-10-carboxylate Traditional Name: (4E)-2-methyl-4-(3-thenylidene)-2,3-dihydro-1H-benzo[b][1,6]naphthyridin-2-ium-10-carboxylate Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC(=CC2=CSC=C2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)[O-]

Isomeric SMILES

C[NH+]1C/C(=C\C2=CSC=C2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)[O-]

InChI

InChI=1S/C19H16N2O2S/c1-21-9-13(8-12-6-7-24-11-12)18-15(10-21)17(19(22)23)14-4-2-3-5-16(14)20-18/h2-8,11H,9-10H2,1H3,(H,22,23)/b13-8+